SCHEMBL3552206

SCHEMBL3552206

c1[nH]c2ccc3oc(CCN4CCOCC4)nc3c2c1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
PLAT P00750 1/20 0.38
HTR1F P30939 7/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.34
HTR1D P28221 4/20 0.33
HTR1B P28222 4/20 0.33
HTR2C P28335 2/20 0.33
ADRB2 P07550 1/20 0.33
IRAK2 O43187 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
IRAK1 P51617 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
IRAK3 Q9Y616 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
HTR1A P08908 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3553017 0.99 CYP2D6 (0.41) CYP2D6PLATHTR1FPIK3CAMTOR
SCHEMBL3553121 0.90 CYP2D6 (0.44) CYP2D6HTR1FHTR1DHTR1BHTR2C
SCHEMBL3547115 0.90 HTR1F (0.40) HTR1FHTR1DHTR1BHTR2CHTR1A
Hydrochloric Acid SCHEMBL3545956 0.90 HTR1F (0.39) HTR1FHTR1DHTR1BHTR2CHTR1A
Hydrochloric Acid SCHEMBL3549547 0.90 CYP2D6 (0.44) CYP2D6HTR1FHTR1DHTR1BHTR2C
SCHEMBL3548945 0.83 HTR1F (0.47) CYP2D6HTR1FHTR1DHTR1BHTR2C
Hydrochloric Acid SCHEMBL3542250 0.82 HTR1F (0.46) CYP2D6HTR1FHTR1DHTR1BHTR2C
SCHEMBL3548802 0.82 CYP2D6 (0.42) CYP2D6HTR1DHTR1BL3MBTL3
SCHEMBL6844233 0.81 HTR1F (0.37) PLATHTR1FHTR1DHTR1BHTR2C
Hydrochloric Acid SCHEMBL3543341 0.81 CYP2D6 (0.42) CYP2D6HTR1DHTR1BL3MBTL3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741343-B2 6H-oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2010-06-22 US disclosed
US-20080051394-A1 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands SCHIEMANN KAI 2008-02-28 US disclosed
US-7291633-B2 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2005-05-12 US disclosed
EP-1392699-B1 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2005-03-16 EP disclosed
EP-1392699-A1 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GmbH (DE) 2004-03-03 EP disclosed
WO-2002088139-A1 6H-OXAZOLO[4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2002-11-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080051394-A1 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 CYP2D6 2008/4885PLAT 1720/4885HTR1F 53/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 CYP2D6 2220/4885PLAT 1484/4885HTR1F 57/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.